24779642 CDK 0908232200 37 39 0 0 0 0 0 0 0 0999 V2000 4.5080 -0.1291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -2.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -0.1291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -1.3666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 -0.1291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1466 0.1223 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3659 -0.9541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6280 -0.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1466 -1.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 0.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4029 0.9064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3659 0.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 -1.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 -0.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2102 1.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 -0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8519 1.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4665 1.8608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2738 2.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5300 2.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 -1.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3373 2.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9791 3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -0.9541 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7935 -2.1917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7935 -1.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 0.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 1.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8393 0.2311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4402 -1.6514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28 1 1 6 0 0 0 1 32 1 0 0 0 0 29 2 1 1 0 0 0 2 33 1 0 0 0 0 3 32 2 0 0 0 0 4 33 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 1 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 36 1 6 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 37 1 6 0 0 0 8 9 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 17 1 6 0 0 0 13 16 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 15 19 1 0 0 0 0 18 21 2 0 0 0 0 19 20 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 26 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 25 31 1 0 0 0 0 28 30 1 0 0 0 0 29 30 1 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 M END > CHEBI:196999 > 1-Hydroxyprevitamin D3 diacetate > 2 > [(1R,5S)-3-[(Z)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-5-acetyloxy-4-methylcyclohex-3-en-1-yl] acetate > C31H48O4 > 484.721 > 484.35526 > 0 > O([C@@H]1CC(/C=C\C=2[C@]3([C@@]([C@](CC3)([C@@H](CCCC(C)C)C)[H])(CCC2)C)[H])=C([C@@H](OC(=O)C)C1)C)C(=O)C > InChI=1S/C31H48O4/c1-20(2)10-8-11-21(3)28-15-16-29-25(12-9-17-31(28,29)7)13-14-26-18-27(34-23(5)32)19-30(22(26)4)35-24(6)33/h12-14,20-21,27-30H,8-11,15-19H2,1-7H3/b14-13-/t21-,27-,28-,29+,30+,31-/m1/s1 > YLYNCPGDKZTDMI-OSGXNWEKSA-N > LMST03020659 $$$$